Crystallography Open Database

Information card for entry 4002150

Preview

Coordinates	4002150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H41 Cr2 N14 O8 Zn2
Calculated formula	C54 H41 Cr2 N14 O8 Zn2
Title of publication	Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange
Authors of publication	Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	1
Pages of publication	205
a	35.157 ± 0.008 Å
b	29.716 ± 0.006 Å
c	16.278 ± 0.004 Å
α	90°
β	109.757 ± 0.004°
γ	90°
Cell volume	16005 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1286
Residual factor for significantly intense reflections	0.1085
Weighted residual factors for significantly intense reflections	0.3157
Weighted residual factors for all reflections included in the refinement	0.3348
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002150.cif
130479	2015-02-04	cif/ Updating files of 4002148, 4002149, 4002150 Original log message: Adding full bibliography for 4002148--4002150.cif.	4002150.cif
129144	2014-12-30	cif/ Adding structures of 4002148, 4002149, 4002150 via cif-deposit CGI script.	4002150.cif